.BETA.-IRONE, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H22O
Molecular Weight	206.3239
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CCC(C)=C(\C=C\C(C)=O)C1(C)C

InChI

InChIKey=BGKCUGPVLVNPSG-FBOQAHMBSA-N

InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3/b9-8+/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H22O
Molecular Weight	206.3239
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:54:59 GMT 2025` Edited by `admin` on `Mon Mar 31 21:54:59 GMT 2025`
Record UNII	QVY649097I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-.BETA.-IRONE

Preferred Name

English

.BETA.-IRONE, (-)-

Common Name

English

3-BUTEN-2-ONE, 4-((5S)-2,5,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)-, (3E)-

Systematic Name

English

(S)-.BETA.-IRONE

Common Name

English

3-BUTEN-2-ONE, 4-(2,5,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)-, (S-(E))-

Systematic Name

English

Code System Code Type Description

CAS

132437-11-7

Created by admin on Mon Mar 31 21:54:59 GMT 2025 , Edited by admin on Mon Mar 31 21:54:59 GMT 2025

PRIMARY

PUBCHEM

15560398

Created by admin on Mon Mar 31 21:54:59 GMT 2025 , Edited by admin on Mon Mar 31 21:54:59 GMT 2025

PRIMARY

CAS

176022-09-6

Created by admin on Mon Mar 31 21:54:59 GMT 2025 , Edited by admin on Mon Mar 31 21:54:59 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

QVY649097I

Created by admin on Mon Mar 31 21:54:59 GMT 2025 , Edited by admin on Mon Mar 31 21:54:59 GMT 2025

PRIMARY